3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

C22H24F3N3O2 — CID 159192742

IUPAC3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCc1cccc(CC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)CC2C(C)C)c1
InChIInChI=1S/C22H24F3N3O2/c1-14(2)19-13-27(17-7-8-20(26-11-17)22(23,24)25)21(30)28(19)12-18(29)10-16-6-4-5-15(3)9-16/h4-9,11,14,19H,10,12-13H2,1-3H3
InChIKeyYGOZHUITPQCVOU-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.49
Rot. Bonds6

About 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (PubChem CID 159192742) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
PubChem CID159192742
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCc1cccc(CC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)CC2C(C)C)c1
InChIInChI=1S/C22H24F3N3O2/c1-14(2)19-13-27(17-7-8-20(26-11-17)22(23,24)25)21(30)28(19)12-18(29)10-16-6-4-5-15(3)9-16/h4-9,11,14,19H,10,12-13H2,1-3H3
InChIKeyYGOZHUITPQCVOU-UHFFFAOYSA-N
XLogP4.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4S)-2-oxo-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-propan-2-ylimidazolidin-1-yl]pyridine-2-carbonitrile
CID 157083720
6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
CID 159019886
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
CID 157256357
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90321883
2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190
N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
CID 90321953
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 86705189
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
CID 90321897
(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 140625322
1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 91262595

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (CID 159192742) is 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is Cc1cccc(CC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)CC2C(C)C)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The InChIKey is YGOZHUITPQCVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-14(2)19-13-27(17-7-8-20(26-11-17)22(23,24)25)21(30)28(19)12-18(29)10-16-6-4-5-15(3)9-16/h4-9,11,14,19H,10,12-13H2,1-3H3.
What are the key properties of 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one has a molecular weight of 419.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 159192742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).